2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine

C6H7F3N2 — CID 162576959

IUPAC2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=NCC(C(F)(F)F)=CN1
InChIInChI=1S/C6H7F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyJBHDFZKVWYFMLJ-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine

2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine (PubChem CID 162576959) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine
PubChem CID162576959
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine
SMILESCC1=NCC(C(F)(F)F)=CN1
InChIInChI=1S/C6H7F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyJBHDFZKVWYFMLJ-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine (CID 162576959) is 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine is CC1=NCC(C(F)(F)F)=CN1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine?
The InChIKey is JBHDFZKVWYFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h2H,3H2,1H3,(H,10,11).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine?
2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine has a molecular weight of 164.13 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 162576959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).